N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine

C13H20N2O — CID 106401408

IUPACN-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine
SMILESC=CCCOCCNCCc1cccnc1
InChIInChI=1S/C13H20N2O/c1-2-3-10-16-11-9-14-8-6-13-5-4-7-15-12-13/h2,4-5,7,12,14H,1,3,6,8-11H2
InChIKeyDRNHYLVQJFQPGD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.81
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine

N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine (PubChem CID 106401408) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine
PubChem CID106401408
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine
SMILESC=CCCOCCNCCc1cccnc1
InChIInChI=1S/C13H20N2O/c1-2-3-10-16-11-9-14-8-6-13-5-4-7-15-12-13/h2,4-5,7,12,14H,1,3,6,8-11H2
InChIKeyDRNHYLVQJFQPGD-UHFFFAOYSA-N
XLogP1.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
CID 54956617
N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine
CID 63262836
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
(E)-4-chloro-N-(2-pyridin-3-ylethyl)but-2-en-1-amine
CID 81429262
N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63264515
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
N-methyl-1-pyridin-3-ylhept-6-en-3-amine
CID 105153411
2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 66227318

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine (CID 106401408) is N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine is C=CCCOCCNCCc1cccnc1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine?
The InChIKey is DRNHYLVQJFQPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-10-16-11-9-14-8-6-13-5-4-7-15-12-13/h2,4-5,7,12,14H,1,3,6,8-11H2.
What are the key properties of N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine?
N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 106401408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).